1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol

C15H22ClNO2 — CID 65145742

IUPAC1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(C)(O)C1CCCNC1
InChIInChI=1S/C15H22ClNO2/c1-15(18,12-4-3-7-17-10-12)9-11-8-13(16)5-6-14(11)19-2/h5-6,8,12,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyBTMHCDWMDSXMON-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.64
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol

1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol (PubChem CID 65145742) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
PubChem CID65145742
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(C)(O)C1CCCNC1
InChIInChI=1S/C15H22ClNO2/c1-15(18,12-4-3-7-17-10-12)9-11-8-13(16)5-6-14(11)19-2/h5-6,8,12,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyBTMHCDWMDSXMON-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148269
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol (CID 65145742) is 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol is COc1ccc(Cl)cc1CC(C)(O)C1CCCNC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol?
The InChIKey is BTMHCDWMDSXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-15(18,12-4-3-7-17-10-12)9-11-8-13(16)5-6-14(11)19-2/h5-6,8,12,17-18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol?
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 65145742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).